U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25N3.C6H8O7
Molecular Weight 523.5775
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CENTHAQUINE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CC1=CC(=CC=C1)N2CCN(CCC3=CC=C4C=CC=CC4=N3)CC2

InChI

InChIKey=XEOUTMUAFOIGQK-UHFFFAOYSA-N
InChI=1S/C22H25N3.C6H8O7/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-10,17H,11-16H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C22H25N3
Molecular Weight 331.454
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:43 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:43 GMT 2023
Record UNII
PL7SQO7OL3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CENTHAQUINE CITRATE
USAN  
Official Name English
2-(2-(4-(3-METHYLPHENYL)PIPERAZIN-1-YL)ETHYL)QUINOLINE 2-HYDROXY-1,2,3- PROPANETRICARBOXYLATE (1:1)
Systematic Name English
CENTHAQUINE CITRATE [USAN]
Common Name English
LYFAQUIN
Brand Name English
Centhaquine citrate [WHO-DD]
Common Name English
PMZ-2010 CITRATE
Code English
PMZ2010 CITRATE
Code English
QUINOLINE, 2-(2-(4-(3-METHYLPHENYL)-1-PIPERAZINYL)ETHYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Systematic Name English
Code System Code Type Description
USAN
HI-254
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
PUBCHEM
73291794
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
FDA UNII
PL7SQO7OL3
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
SMS_ID
300000044572
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
CAS
1480809-77-5
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
CAS
2379873-35-3
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
NON-SPECIFIC STOICHIOMETRY
NCI_THESAURUS
C179077
Created by admin on Sat Dec 16 17:03:43 GMT 2023 , Edited by admin on Sat Dec 16 17:03:43 GMT 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY